SCHEMBL532912

SCHEMBL532912

O=Cc1ccc(O)c([N+](=O)[O-])c1F

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.50
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
GPR35 Q9HC97 1/20 0.42
MCL1 Q07820 1/20 0.38
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
XDH P47989 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16838213 0.83 ERN1 (0.55) ERN1ALDH5A1ABATGPR35MCL1
SCHEMBL28854528 0.81 ERN1 (0.37) ERN1CYP3A4TSHRHIF1A
SCHEMBL28223814 0.81 ERN1 (0.53) ERN1ALDH5A1ABATGPR35MCL1
SCHEMBL6902206 0.80 ERN1 (0.43) ERN1ALDH5A1ABATGPR35TP53
SCHEMBL532121 0.79 ERN1 (0.50) ERN1ALDH5A1ABATGPR35MCL1
SCHEMBL9448642 0.78 ERN1 (0.53) ERN1ALDH5A1ABATGPR35XDH
SCHEMBL1283267 0.77 GPR35 (0.47) ERN1GPR35MCL1TP53CYP3A4
SCHEMBL29833724 0.77 GPR35 (0.47) ERN1GPR35MCL1TP53CYP3A4
SCHEMBL16838201 0.76 ERN1 (0.51) ERN1ALDH5A1ABATGPR35TRIM24
SCHEMBL28259777 0.76 GPR35 (0.55) ALDH5A1ABATGPR35TP53CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415767-B1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-8669249-B2 Poly (ADP-ribose) polymerase (PARP) inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-11 US disclosed
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2415767-A1 Poly (ADP-ribose) Polymerase (PARP) Inhibitors Takeda Pharmaceutical Company Limited (JP) 2012-02-08 EP disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120094992-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP2, PARP3 ERN1 1074/4885ALDH5A1 803/4885ABAT 833/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.